4M82

The structure of E292S glycosynthase variant of exo-1,3-beta-glucanase from Candida albicans complexed with p-nitrophenyl-gentiobioside (product) at 1.6A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	2006-11-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.785, 64.333, 94.489
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.218 - 1.592
R-factor	0.1492
Rwork	0.147
R-free	0.18400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cz1
RMSD bond length	0.006
RMSD bond angle	1.078
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.440	1.680
High resolution limit [Å]	1.590	1.590
Rmerge	0.027	0.212
Number of reflections	48285
<I/σ(I)>	39.2	6.9
Completeness [%]	99.0	93.7
Redundancy	5.6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	291	0.1M HEPES-KOH, 0.2M CACL2, 19% PEG8000, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K